Geometry & MOs

Info

ID:	289537
PubChem CID:	104359462
Reduced:	BrClN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	298.98249
ΔH_f, kcal/mol:	104.37
Dipole, Da:	5.95
IP(EA), eV:	-9.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-4-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NN=C2C3=C(C(=CC=C3)Br)Cl

DOS

IR

Vibrations